| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2288071
Max Phase: Preclinical
Molecular Formula: C18H18N2O
Molecular Weight: 278.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)n1cncc1-c1cccc(Oc2ccccc2)c1
Standard InChI: InChI=1S/C18H18N2O/c1-14(2)20-13-19-12-18(20)15-7-6-10-17(11-15)21-16-8-4-3-5-9-16/h3-14H,1-2H3
Standard InChI Key: JHABDJYTNVMVGX-UHFFFAOYSA-N
Associated Targets(non-human)
Bombyx mori 577 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 278.36 | Molecular Weight (Monoisotopic): 278.1419 | AlogP: 4.92 | #Rotatable Bonds: 4 |
| Polar Surface Area: 27.05 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.15 | CX LogP: 3.92 | CX LogD: 3.90 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.68 | Np Likeness Score: -0.83 |
References
| 1. KUWANO E, HISANO T, ETO M. (1991) Synthesis and Insect Growth Regulatory Activity of 1,5-Disubstituted Imidazoles with Non-terpene Chains., 55 (12): [10.1271/bbb1961.55.2999] |
Source
Source(1):